SCHEMBL6405985

SCHEMBL6405985

CC1=C(C(=O)OC(C)C(C)(C)C)C(c2ccc3[nH]cnc3c2)NC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ADORA2B P29275 6/20 0.48
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
CREBBP Q92793 1/20 0.42
MAPT P10636 1/20 0.42
GUSB P08236 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6404875 0.85 ADORA2B (0.46) GAAADORA2BALDH1A1MAPTGUSB
SCHEMBL4648207 0.81 USP2 (0.46) GAAALDH1A1ALOX15HSD17B10
SCHEMBL6406082 0.77 GAA (0.68) GAAADORA2BALDH1A1RAB9ACREBBP
SCHEMBL6409001 0.76 ADORA2B (0.53) GAAADORA2BALDH1A1MAPTTSHR
SCHEMBL6407610 0.74 ADORA2B (0.49) GAAADORA2BALDH1A1MAPTGUSB
SCHEMBL6406084 0.72 RAB9A (0.48) GAAADORA2BALDH1A1RAB9ACREBBP
SCHEMBL4649479 0.72 GAA (0.54) GAAADORA2BALDH1A1RAB9ACREBBP
SCHEMBL6404869 0.71 GAA (0.56) GAAADORA2BALDH1A1RAB9ACREBBP
SCHEMBL4744658 0.70 GAA (0.66) GAAADORA2BALDH1A1RAB9AALOX15
SCHEMBL4649301 0.70 GAA (0.70) GAAADORA2BALDH1A1RAB9ACREBBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 GAA 349/4885ADORA2B 3513/4885ALDH1A1 1008/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.